1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol

C15H28N2OS — CID 65133710

IUPAC1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
SMILESCCC(CC)n1ccc(CC(O)CSC(C)(C)C)n1
InChIInChI=1S/C15H28N2OS/c1-6-13(7-2)17-9-8-12(16-17)10-14(18)11-19-15(3,4)5/h8-9,13-14,18H,6-7,10-11H2,1-5H3
InChIKeyFXFIOFSNRSPTTM-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.68
Rot. Bonds7

About 1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol

1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol (PubChem CID 65133710) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
PubChem CID65133710
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
SMILESCCC(CC)n1ccc(CC(O)CSC(C)(C)C)n1
InChIInChI=1S/C15H28N2OS/c1-6-13(7-2)17-9-8-12(16-17)10-14(18)11-19-15(3,4)5/h8-9,13-14,18H,6-7,10-11H2,1-5H3
InChIKeyFXFIOFSNRSPTTM-UHFFFAOYSA-N
XLogP3.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785470
1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol
CID 65134516
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
CID 64785469
1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol
CID 64784536
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol
CID 116713320
1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol
CID 65131163
1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785116
1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol
CID 64785290
1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol
CID 115808024
4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 102927552

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol (CID 65133710) is 1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol is CCC(CC)n1ccc(CC(O)CSC(C)(C)C)n1.
What is the InChIKey of 1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol?
The InChIKey is FXFIOFSNRSPTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-6-13(7-2)17-9-8-12(16-17)10-14(18)11-19-15(3,4)5/h8-9,13-14,18H,6-7,10-11H2,1-5H3.
What are the key properties of 1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol?
1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol has a molecular weight of 284.47 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 65133710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).